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2-[(3E,5E)-6-bromanyl-2-oxidanyl-hepta-3,5-dienyl]-1,3-oxazole-4-carboxylic acid
SpectraBase Compound ID GAVf4iB7bui
InChI InChI=1S/C11H12BrNO4/c1-7(12)3-2-4-8(14)5-10-13-9(6-17-10)11(15)16/h2-4,6,8,14H,5H2,1H3,(H,15,16)/b4-2+,7-3+
InChIKey XSMVCEZJVSMYQY-JKEDICHKSA-N
Mol Weight 302.12 g/mol
Molecular Formula C11H12BrNO4
Exact Mass 300.994971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qlmytZI5g
Name 2-[(3E,5E)-6-bromanyl-2-oxidanyl-hepta-3,5-dienyl]-1,3-oxazole-4-carboxylic acid
Alternate Name(s) 2-[(3E,5E)-6-bromo-2-hydroxy-hepta-3,5-dienyl]oxazole-4-carboxylic acid 2-[(3E,5E)-6-bromo-2-hydroxyhepta-3,5-dienyl]-1,3-oxazole-4-carboxylic acid 2-[(3E,5E)-6-bromo-2-hydroxyhepta-3,5-dienyl]-4-oxazolecarboxylic acid
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Formula C11H12BrNO4
InChI InChI=1S/C11H12BrNO4/c1-7(12)3-2-4-8(14)5-10-13-9(6-17-10)11(15)16/h2-4,6,8,14H,5H2,1H3,(H,15,16)/b4-2+,7-3+
InChIKey XSMVCEZJVSMYQY-JKEDICHKSA-N
Molecular Weight 302.124 g/mol
SMILES OC(Cc1nc(C(=O)O)co1)\C=C\C=C/(Br)C
SPLASH splash10-01ti-3910000000-fd4a193f904a4003881c
Source of Spectrum SO-0-610-8
Wiley ID 875448